Antimicrobial and cytotoxic arylazoenamines. Part III: Antiviral activity of selected classes of arylazoenamines
Titolo: Antimicrobial and cytotoxic arylazoenamines. Part III: Antiviral activity of selected classes of arylazoenamines
Prediction of thermophysical properties of alternative refrigerants by a novel, ab initio force field
Titolo: Prediction of thermophysical properties of alternative refrigerants by a novel, ab initio force field
How the Angstrom modifies the nano: effect of point mutations on the nanodimensional structure of human TP53 point mutations
Titolo: How the Angstrom modifies the nano: effect of point mutations on the nanodimensional structure of human TP53 point mutations
Computer simulation of stationary energy production from biomass by molten carbonate fuel cells.
Titolo: Computer simulation of stationary energy production from biomass by molten carbonate fuel cells.
Mesoscale Modeling for Polymer systems of industrial interest
Titolo: Mesoscale Modeling for Polymer systems of industrial interest
Multiscale molecular modeling for the design of nanostructured materials
Titolo: Multiscale molecular modeling for the design of nanostructured materials
Novel Aryl Diketo Acids (ADKs) as Inhibitors of Hepatitis C Virus NS5b RNA-Dependent RNA-Polymerase: Better Understanding Through Molecular Modeling
Titolo: Novel Aryl Diketo Acids (ADKs) as Inhibitors of Hepatitis C Virus NS5b RNA-Dependent RNA-Polymerase: Better Understanding Through Molecular Modeling
Steady state and Dynamic simulation of molten carbonate fuel cells
Titolo: Steady state and Dynamic simulation of molten carbonate fuel cells
Multi-scale modelling of heat transfer in polyurethane foams
Titolo: Multi-scale modelling of heat transfer in polyurethane foams
Abstract: The influence of morphology and cell gas composition on heat insulation properties of polyurethane (PU) foams was investigated using a multi-scale mathematical model. The polymer absorption coefficient was determined from quantum chemical computations. Reverse non-equilibrium molecular dynamics was used to calculate the thermal conductivity of polymer and gas mixtures relevant to PU foams. The equivalent foam conductivity was calculated using homogeneous phase approach. The individual models were coupled together using suitable surrogate models within MoDeNa framework. To validate the proposed model 9 foam samples were prepared using different recipes, their morphology was characterized and their thermal conductivity was measured. The difference between experimental and predicted values was comparable to experimental error. Developed multi-scale model was used to identify the most suitable relation for the calculation of thermal conductivity of gas mixtures in PU foams and to quantify the influence of foam density, cell size, and strut content on heat insulation properties of PU foams.
Coupling Computational and Experimental Techniques for the Design, Characterization and Performance of Self-Assembled Dendrimers for Heparin and DNA Binding
Titolo: Coupling Computational and Experimental Techniques for the Design, Characterization and Performance of Self-Assembled Dendrimers for Heparin and DNA Binding
Abstract: No abstract avaialble for this Chapter.